2-[5-(aminomethyl)-2-oxidanyl-phenyl]-N-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)ethanamide

Systemtic Name: 2-[5-(aminomethyl)-2-oxidanyl-phenyl]-N-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)ethanamide Openeye Name: 2-[5-(aminomethyl)-2-hydroxy-phenyl]-N-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide CAS Name: 2-[5-(aminomethyl)-2-hydroxyphenyl]-N-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]acetamide IUPAC Name: 2-[5-(aminomethyl)-2-hydroxyphenyl]-N-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide Traditional Name: 2-[5-(aminomethyl)-2-hydroxy-phenyl]-N-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=C(C=CC(=C2)CN)O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=C(C=CC(=C2)CN)O)C(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O3/c1-14-10-17(5-6-18(14)21(27)24-8-2-3-9-24)23-20(26)12-16-11-15(13-22)4-7-19(16)25/h4-7,10-11,25H,2-3,8-9,12-13,22H2,1H3,(H,23,26)